Information card for entry 2213378

Structure parameters

• Chemical name: (η^5^-1-n-Butyl-2,3,4,5-tetramethylcyclopentadienyl)trichloridotitanium(IV)
• Formula: C13 H21 Cl3 Ti
• Calculated formula: C13 H21 Cl3 Ti
• SMILES: [Ti]1234(Cl)(Cl)(Cl)[c]5([c]1([c]2([c]3([c]45C)C)C)C)CCCC
• Title of publication: (η^5^-1-<i>n</i>-Butyl-2,3,4,5-tetramethylcyclopentadienyl)trichloridotitanium(IV)
• Authors of publication: Su, Qing; Wu, Qiao-Lin; Ye, Ling; Mu, Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1448 - m1449
• a: 13.341 ± 0.002 Å
• b: 15.34 ± 0.003 Å
• c: 15.725 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3218.1 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes